CID 17040202

856417-59-9

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)C(CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-11(2,3)8(7-9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)
InChIKey
GJOMHEYOQWPVEZ-UHFFFAOYSA-N
Compound name
4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

245.1627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.5
[M+Na]+ 268.15192 163.6
[M+NH4]+ 263.19652 162.3
[M+K]+ 284.12586 162.9
[M-H]- 244.15542 154.0
[M+Na-2H]- 266.13737 157.9
[M]+ 245.16215 157.4
[M]- 245.16325 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe